N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxyphenyl)thio]propionamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)SC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O4S2/c1-17(29-20-11-9-19(28-2)10-12-20)22(25)23-18-7-13-21(14-8-18)30(26,27)24-15-5-3-4-6-16-24/h7-14,17H,3-6,15-16H2,1-2H3,(H,23,25)